#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d54 s PRO 2 N 0.00 4.16 -0.08 0.03 0.04 -1.26 -4.97 135.00 132.92 3d54 s PRO 2 Ca 0.00 0.85 -0.04 0.00 0.04 0.00 0.00 61.00 61.84 3d54 s PRO 2 Cb 0.00 -2.59 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 3d54 s PRO 2 CO 0.00 0.23 0.10 -0.51 0.04 0.00 0.00 177.00 176.86 3d54 s LEU 3 N -2.58 4.13 -0.22 -3.56 1.02 -1.26 -3.30 118.68 112.91 3d54 s LEU 3 Ca 0.51 0.33 -0.01 0.00 0.02 0.00 0.00 54.13 54.98 3d54 s LEU 3 Cb -0.13 -2.11 0.06 0.00 0.02 0.00 0.00 46.19 44.03 3d54 s LEU 3 CO 0.19 0.36 0.01 -0.36 0.02 0.00 0.00 176.35 176.57 3d54 s PHE 4 N -1.06 1.54 0.05 0.29 0.08 -0.58 -4.94 117.98 113.36 3d54 s PHE 4 Ca 0.17 -1.24 -0.30 0.00 0.12 0.00 0.00 56.93 55.69 3d54 s PHE 4 Cb -0.12 -1.27 -0.05 0.00 -0.57 0.00 0.00 43.02 41.01 3d54 s PHE 4 CO 0.07 -0.69 1.06 0.15 -0.10 0.00 0.00 175.22 175.71 3d54 s LYS 5 N 1.68 4.54 0.15 0.44 1.02 -1.26 -2.23 119.74 124.08 3d54 s LYS 5 Ca -0.02 1.56 0.04 0.00 0.02 0.00 0.00 55.97 57.57 3d54 s LYS 5 Cb -0.18 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.69 3d54 s LYS 5 CO -0.09 -0.07 -0.07 -0.06 -0.92 0.00 0.00 175.35 174.14 3d54 s PHE 6 N 0.78 1.21 -0.16 3.18 0.08 -0.78 -2.34 117.98 119.95 3d54 s PHE 6 Ca 0.53 -0.83 -0.04 0.00 0.12 0.00 0.00 56.93 56.71 3d54 s PHE 6 Cb -0.25 -0.65 0.07 0.00 -0.57 0.00 0.00 43.02 41.63 3d54 s PHE 6 CO 0.29 -0.01 0.16 0.00 -0.10 0.00 0.00 175.22 175.57 3d54 s ALA 7 N -3.43 -0.03 -0.26 5.36 0.00 -0.61 -1.58 121.76 121.21 3d54 s ALA 7 Ca 0.18 0.16 -0.15 0.00 0.00 0.00 0.00 51.96 52.14 3d54 s ALA 7 Cb 0.04 -1.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 3d54 s ALA 7 CO 0.01 -1.03 0.39 0.42 0.00 0.00 0.00 175.76 175.54 3d54 s ILE 8 N 2.26 5.17 -0.42 0.00 1.01 0.21 -2.71 121.20 126.71 3d54 s ILE 8 Ca 0.05 0.61 -0.18 0.00 0.00 0.00 0.00 60.65 61.13 3d54 s ILE 8 Cb -0.15 -3.71 0.02 0.00 0.01 0.00 0.00 42.46 38.63 3d54 s ILE 8 CO -0.09 0.16 0.47 -0.62 0.00 0.00 0.00 174.94 174.85 3d54 s ASP 9 N 1.60 6.22 -0.13 3.58 -1.08 -0.78 -1.59 116.67 124.49 3d54 s ASP 9 Ca 0.16 -0.59 -0.04 0.00 -0.52 0.00 0.00 52.55 51.55 3d54 s ASP 9 Cb -0.16 -2.24 -0.04 0.00 -1.46 0.00 0.00 42.92 39.03 3d54 s ASP 9 CO 0.10 -0.61 0.03 -0.69 0.52 0.00 0.00 175.17 174.52 3d54 s VAL 10 N 2.25 4.56 0.05 1.11 1.01 -1.05 -2.15 120.40 126.18 3d54 s VAL 10 Ca 0.14 -0.14 -0.05 0.00 0.00 0.00 0.00 61.98 61.93 3d54 s VAL 10 Cb -0.17 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 3d54 s VAL 10 CO 0.14 0.55 0.08 -1.10 0.00 0.00 0.00 175.10 174.78 3d54 s GLN 11 N -0.38 0.61 0.48 2.72 -1.52 -0.83 -2.33 119.66 118.41 3d54 s GLN 11 Ca 0.08 -0.86 -0.20 0.00 -1.95 0.00 0.00 55.36 52.43 3d54 s GLN 11 Cb -0.12 0.24 -0.09 0.00 -0.22 0.00 0.00 33.01 32.82 3d54 s GLN 11 CO 0.02 -0.15 1.01 0.71 -0.25 0.00 0.00 175.29 176.63 3d54 s TYR 12 N -2.97 3.12 0.53 0.91 4.12 -1.26 -1.05 117.35 120.75 3d54 s TYR 12 Ca -0.02 1.57 -0.21 0.00 0.02 0.00 0.00 57.07 58.44 3d54 s TYR 12 Cb 0.01 -2.98 -0.07 0.00 -1.52 0.00 0.00 41.96 37.40 3d54 s TYR 12 CO -0.06 -0.60 0.96 0.54 0.02 0.00 0.00 175.55 176.41 3d54 n ARG 13 N -0.99 1.09 0.00 -0.62 1.74 -0.32 -4.79 116.66 112.76 3d54 n ARG 13 Ca 0.08 0.40 0.00 0.00 -0.77 0.00 0.00 57.85 57.57 3d54 n ARG 13 Cb 0.53 -2.11 0.02 0.00 -1.02 0.00 0.00 32.46 29.89 3d54 n ARG 13 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3d54 n SER 14 N -0.19 0.00 0.00 0.55 7.64 -1.26 -1.13 113.62 119.23 3d54 n SER 14 Ca 0.12 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.97 3d54 n SER 14 Cb 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 3d54 n SER 14 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3d54 n ASN 15 N -0.96 0.31 -4.65 6.43 4.13 -1.26 -5.01 115.26 114.24 3d54 n ASN 15 Ca 0.01 -0.92 -0.40 0.00 1.68 0.00 0.00 54.58 54.94 3d54 n ASN 15 Cb 0.00 0.03 -0.06 0.00 -1.54 0.00 0.00 39.78 38.22 3d54 n ASN 15 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3d54 s VAL 16 N -0.03 4.98 0.20 2.41 1.01 -0.29 -5.02 120.40 123.66 3d54 s VAL 16 Ca 0.00 1.24 -0.30 0.00 0.00 0.00 0.00 61.98 62.92 3d54 s VAL 16 Cb 0.00 -3.97 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 3d54 s VAL 16 CO 0.00 0.07 1.40 -0.60 0.00 0.00 0.00 175.10 175.97 3d54 s ARG 17 N 2.15 4.32 -0.50 2.72 3.52 -1.26 -4.71 118.95 125.18 3d54 s ARG 17 Ca 0.29 2.18 0.03 0.00 -0.13 0.00 0.00 55.73 58.10 3d54 s ARG 17 Cb -0.16 -3.17 0.14 0.00 -1.56 0.00 0.00 34.95 30.21 3d54 s ARG 17 CO 0.10 -0.38 0.30 0.34 -0.81 0.00 0.00 175.30 174.85 3d54 s ASP 18 N 0.58 3.74 0.20 -2.12 2.15 -1.26 -4.96 116.67 115.00 3d54 s ASP 18 Ca 0.61 -2.98 0.23 0.00 0.43 0.00 0.00 52.55 50.83 3d54 s ASP 18 Cb -0.39 -1.19 0.91 0.00 -0.30 0.00 0.00 42.92 41.95 3d54 s ASP 18 CO 0.38 -0.21 1.70 -2.65 -0.17 0.00 0.00 175.17 174.21 3d54 n PRO 19 N 3.08 0.17 0.20 4.34 -0.02 -1.26 -1.78 135.00 139.73 3d54 n PRO 19 Ca 0.13 0.35 0.05 0.00 -2.02 0.00 0.00 63.50 62.00 3d54 n PRO 19 Cb 0.36 -1.79 0.43 0.00 -0.02 0.00 0.00 33.50 32.47 3d54 n PRO 19 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3d54 h ARG 20 N 0.00 0.00 0.00 -0.52 1.12 -1.99 -1.91 114.38 111.07 3d54 h ARG 20 Ca 0.00 0.00 -0.16 0.00 -1.11 0.00 0.00 59.98 58.71 3d54 h ARG 20 Cb 0.41 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.35 3d54 h ARG 20 CO 0.00 0.32 -1.65 0.41 -3.11 0.00 0.00 179.97 175.94 3d54 n GLY 21 N -0.44 -1.15 0.14 2.80 0.00 -0.74 -3.30 105.19 102.51 3d54 n GLY 21 Ca -0.02 -0.23 0.02 0.00 0.00 0.00 0.00 46.02 45.79 3d54 n GLY 21 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3d54 h GLU 22 N 0.00 0.00 -0.10 1.61 5.08 -1.27 -2.34 114.58 117.56 3d54 h GLU 22 Ca -0.19 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.02 3d54 h GLU 22 Cb 1.56 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.80 3d54 h GLU 22 CO 0.03 0.55 -0.59 1.15 -1.00 0.00 0.00 179.01 179.16 3d54 h THR 23 N 0.00 1.36 0.01 1.13 2.02 -1.45 -1.49 112.91 114.49 3d54 h THR 23 Ca -0.01 -1.91 -0.23 0.00 0.77 0.00 0.00 66.41 65.04 3d54 h THR 23 Cb 1.26 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.60 3d54 h THR 23 CO 0.07 0.57 -0.95 0.40 0.37 0.00 0.00 175.52 175.98 3d54 h ILE 24 N 0.26 1.41 0.34 3.11 2.04 -1.53 -2.52 117.51 120.62 3d54 h ILE 24 Ca -0.00 -2.50 -0.02 0.00 1.00 0.00 0.00 64.86 63.35 3d54 h ILE 24 Cb 1.10 2.45 0.00 0.00 -0.74 0.00 0.00 36.82 39.64 3d54 h ILE 24 CO 0.10 0.74 -0.16 -0.08 0.00 0.00 0.00 178.15 178.75 3d54 h GLU 25 N 0.21 -0.43 -0.82 2.37 4.81 -1.28 -2.55 114.58 116.89 3d54 h GLU 25 Ca -0.08 0.03 0.19 0.00 -0.13 0.00 0.00 59.36 59.37 3d54 h GLU 25 Cb 1.59 0.10 -0.15 0.00 0.63 0.00 0.00 28.75 30.92 3d54 h GLU 25 CO 0.16 -0.21 -0.06 0.00 -0.73 0.00 0.00 179.01 178.17 3d54 h ARG 26 N -0.57 0.05 0.00 1.92 3.08 -1.31 -2.99 114.38 114.56 3d54 h ARG 26 Ca -0.05 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3d54 h ARG 26 Cb 0.42 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3d54 h ARG 26 CO 0.08 0.04 0.00 0.28 -1.07 0.00 0.00 179.97 179.29 3d54 n VAL 27 N -5.43 0.00 -0.58 2.04 0.31 -0.95 -1.73 118.33 112.00 3d54 n VAL 27 Ca 0.15 1.13 -0.05 0.00 -0.01 0.00 0.00 64.34 65.56 3d54 n VAL 27 Cb 0.51 -2.12 -0.08 0.00 -0.91 0.00 0.00 33.84 31.25 3d54 n VAL 27 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3d54 n LEU 28 N -0.92 3.78 0.00 7.52 -0.00 -0.99 -0.38 117.00 126.00 3d54 n LEU 28 Ca 0.00 -2.15 0.00 0.00 -0.00 0.00 0.00 56.01 53.86 3d54 n LEU 28 Cb 0.00 -0.94 0.00 0.00 -0.00 0.00 0.00 43.42 42.48 3d54 n LEU 28 CO 0.00 0.94 -0.02 0.54 -0.00 0.00 0.00 177.39 178.85 3d54 n ARG 29 N 2.26 0.11 -0.02 1.47 1.74 -1.13 -3.75 116.66 117.34 3d54 n ARG 29 Ca 0.19 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.32 3d54 n ARG 29 Cb 0.54 -0.52 -0.14 0.00 -1.02 0.00 0.00 32.46 31.32 3d54 n ARG 29 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3d54 n GLU 30 N -0.90 0.71 -0.02 5.56 1.02 -0.70 -3.09 120.64 123.22 3d54 n GLU 30 Ca 0.00 -0.13 0.02 0.00 -0.02 0.00 0.00 57.16 57.03 3d54 n GLU 30 Cb 0.02 -1.43 -0.08 0.00 -0.02 0.00 0.00 31.44 29.94 3d54 n GLU 30 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3d54 n GLU 31 N -2.23 1.08 0.00 3.49 1.02 0.48 -4.64 120.64 119.85 3d54 n GLU 31 Ca -0.09 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 3d54 n GLU 31 Cb 0.59 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.77 3d54 n GLU 31 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3d54 n LYS 32 N -2.03 -0.53 -4.06 3.49 4.76 -1.15 -4.99 118.16 113.65 3d54 n LYS 32 Ca -0.07 -0.41 -0.38 0.00 -2.87 0.00 0.00 58.31 54.58 3d54 n LYS 32 Cb 0.46 -0.90 -0.01 0.00 -1.84 0.00 0.00 35.03 32.74 3d54 n LYS 32 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3d54 n GLY 33 N 0.04 -0.58 3.50 0.72 0.00 -1.18 -4.83 105.19 102.86 3d54 n GLY 33 Ca 0.00 0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.96 3d54 n GLY 33 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d54 s LEU 34 N -7.10 2.79 -1.05 0.99 1.02 -1.25 -4.97 118.68 109.11 3d54 s LEU 34 Ca 0.33 -0.26 -0.23 0.00 0.02 0.00 0.00 54.13 54.00 3d54 s LEU 34 Cb -0.19 -1.60 0.00 0.00 0.02 0.00 0.00 46.19 44.42 3d54 s LEU 34 CO 0.85 0.30 1.73 -2.84 0.02 0.00 0.00 176.35 176.42 3d54 s PRO 35 N -1.11 3.16 -0.37 1.29 0.02 -1.26 -4.61 135.00 132.12 3d54 s PRO 35 Ca 0.14 -1.01 0.00 0.00 0.02 0.00 0.00 61.00 60.15 3d54 s PRO 35 Cb -0.11 -5.28 0.14 0.00 0.02 0.00 0.00 34.50 29.27 3d54 s PRO 35 CO 0.04 -2.86 0.22 0.54 -0.33 0.00 0.00 177.00 174.60 3d54 s VAL 36 N 7.40 0.43 0.50 3.83 0.11 -1.26 -5.13 120.40 126.28 3d54 s VAL 36 Ca 0.58 -1.90 -0.10 0.00 -2.93 0.00 0.00 61.98 57.64 3d54 s VAL 36 Cb -0.02 -1.32 -0.05 0.00 -1.53 0.00 0.00 36.38 33.46 3d54 s VAL 36 CO -0.01 -0.97 0.87 -0.54 -3.33 0.00 0.00 175.10 171.13 3d54 s LYS 37 N 0.91 3.68 -0.20 1.54 1.02 -1.26 -4.85 119.74 120.58 3d54 s LYS 37 Ca 0.18 0.53 -0.06 0.00 0.02 0.00 0.00 55.97 56.63 3d54 s LYS 37 Cb -0.23 -2.27 0.01 0.00 -0.52 0.00 0.00 37.83 34.82 3d54 s LYS 37 CO 0.01 -0.26 0.24 1.17 -0.92 0.00 0.00 175.35 175.58 3d54 n LYS 38 N -2.02 -1.32 -3.84 1.68 4.81 -1.26 -5.03 118.16 111.18 3d54 n LYS 38 Ca 0.03 1.39 -0.23 0.00 -0.87 0.00 0.00 58.31 58.63 3d54 n LYS 38 Cb 0.54 -3.51 -0.17 0.00 0.02 0.00 0.00 35.03 31.91 3d54 n LYS 38 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3d54 s LEU 39 N -1.60 0.76 0.11 3.14 0.20 -1.26 -5.14 118.68 114.89 3d54 s LEU 39 Ca 0.10 -0.11 0.06 0.00 0.69 0.00 0.00 54.13 54.86 3d54 s LEU 39 Cb -0.03 -0.48 -0.04 0.00 -0.43 0.00 0.00 46.19 45.21 3d54 s LEU 39 CO 0.39 -0.17 -0.02 -0.13 -0.29 0.00 0.00 176.35 176.13 3d54 s ARG 40 N 1.79 2.43 0.03 1.98 0.52 -1.26 -4.69 118.95 119.75 3d54 s ARG 40 Ca 0.03 -0.92 0.07 0.00 -0.52 0.00 0.00 55.73 54.38 3d54 s ARG 40 Cb -0.13 -2.46 -0.02 0.00 0.52 0.00 0.00 34.95 32.86 3d54 s ARG 40 CO -0.05 0.52 -0.19 -1.17 0.02 0.00 0.00 175.30 174.43 3d54 s LEU 41 N -2.39 2.13 0.00 2.53 1.98 -1.26 -5.08 118.68 116.59 3d54 s LEU 41 Ca 0.25 -0.46 -0.16 0.00 -2.89 0.00 0.00 54.13 50.87 3d54 s LEU 41 Cb -0.11 -0.92 0.06 0.00 0.66 0.00 0.00 46.19 45.88 3d54 s LEU 41 CO 0.17 0.16 0.79 0.61 -1.89 0.00 0.00 176.35 176.20 3d54 n GLY 42 N 2.08 0.86 3.97 7.98 0.00 -1.26 -4.57 105.19 114.25 3d54 n GLY 42 Ca -0.17 -1.14 -0.21 0.00 0.00 0.00 0.00 46.02 44.50 3d54 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d54 s LYS 43 N -2.05 3.24 -0.20 1.61 1.02 -0.98 -5.00 119.74 117.38 3d54 s LYS 43 Ca 0.17 -0.78 -0.04 0.00 0.02 0.00 0.00 55.97 55.34 3d54 s LYS 43 Cb -0.03 -2.78 0.08 0.00 -0.52 0.00 0.00 37.83 34.58 3d54 s LYS 43 CO 0.06 0.13 0.18 0.45 -0.92 0.00 0.00 175.35 175.25 3d54 s SER 44 N -4.11 1.71 -0.21 2.83 0.15 -1.26 -2.53 113.70 110.27 3d54 s SER 44 Ca 0.42 -0.37 -0.04 0.00 0.70 0.00 0.00 55.95 56.66 3d54 s SER 44 Cb -0.09 0.18 -0.01 0.00 -1.71 0.00 0.00 66.02 64.39 3d54 s SER 44 CO 0.32 -0.34 -0.04 -0.63 1.20 0.00 0.00 173.24 173.76 3d54 s ILE 45 N 2.27 3.46 -0.14 6.45 1.01 -0.62 -4.97 121.20 128.65 3d54 s ILE 45 Ca 0.05 -0.47 -0.06 0.00 0.00 0.00 0.00 60.65 60.18 3d54 s ILE 45 Cb -0.16 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 3d54 s ILE 45 CO -0.12 0.43 0.07 -1.00 0.00 0.00 0.00 174.94 174.32 3d54 s HIS 46 N 1.34 3.31 -0.18 3.97 3.76 -1.26 0.63 115.29 126.87 3d54 s HIS 46 Ca 0.04 0.22 -0.11 0.00 -0.15 0.00 0.00 55.06 55.05 3d54 s HIS 46 Cb -0.14 -1.98 0.06 0.00 1.11 0.00 0.00 32.58 31.63 3d54 s HIS 46 CO -0.02 0.37 0.45 -0.48 -0.85 0.00 0.00 174.74 174.21 3d54 s LEU 47 N -0.27 -0.10 0.09 0.89 0.05 -0.61 -5.00 118.68 113.72 3d54 s LEU 47 Ca 0.08 0.96 -0.09 0.00 0.05 0.00 0.00 54.13 55.14 3d54 s LEU 47 Cb -0.12 1.50 -0.06 0.00 -2.05 0.00 0.00 46.19 45.47 3d54 s LEU 47 CO 0.01 -0.19 0.39 -1.61 -0.55 0.00 0.00 176.35 174.40 3d54 s GLU 48 N 1.16 3.72 0.02 1.48 2.02 -1.26 -1.87 118.70 123.96 3d54 s GLU 48 Ca -0.07 0.11 0.02 0.00 0.02 0.00 0.00 54.97 55.04 3d54 s GLU 48 Cb -0.07 -2.97 -0.01 0.00 0.10 0.00 0.00 34.13 31.18 3d54 s GLU 48 CO -0.10 0.55 -0.06 0.08 0.02 0.00 0.00 175.26 175.74 3d54 s VAL 49 N -1.44 0.44 -0.16 2.63 1.01 -0.95 -4.94 120.40 117.00 3d54 s VAL 49 Ca 0.34 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.64 3d54 s VAL 49 Cb -0.13 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 3d54 s VAL 49 CO 0.19 -0.13 0.03 -1.61 0.00 0.00 0.00 175.10 173.57 3d54 s GLU 50 N -0.82 3.72 0.03 2.72 2.02 -1.26 -1.53 118.70 123.58 3d54 s GLU 50 Ca -0.04 -0.39 -0.02 0.00 0.02 0.00 0.00 54.97 54.54 3d54 s GLU 50 Cb -0.06 -3.06 0.01 0.00 0.10 0.00 0.00 34.13 31.11 3d54 s GLU 50 CO 0.00 0.35 0.10 0.00 0.02 0.00 0.00 175.26 175.74 3d54 n ALA 51 N 3.25 -0.25 -0.02 5.21 0.00 -1.21 -4.99 120.51 122.50 3d54 n ALA 51 Ca -0.17 -0.13 -0.00 0.00 0.00 0.00 0.00 53.44 53.14 3d54 n ALA 51 Cb 0.53 0.08 -0.00 0.00 0.00 0.00 0.00 19.45 20.06 3d54 n ALA 51 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3d54 h GLU 52 N 0.00 -0.01 0.00 0.00 3.07 -1.92 -3.35 114.58 112.36 3d54 h GLU 52 Ca -0.03 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.24 3d54 h GLU 52 Cb 0.14 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 27.94 3d54 h GLU 52 CO 0.04 -0.01 -0.43 0.27 -1.40 0.00 0.00 179.01 177.49 3d54 n ASN 53 N -3.50 3.20 0.09 1.42 0.23 -1.26 -4.85 115.26 110.59 3d54 n ASN 53 Ca -0.00 -2.99 -0.06 0.00 -0.53 0.00 0.00 54.58 51.00 3d54 n ASN 53 Cb 0.00 0.34 0.00 0.00 -2.08 0.00 0.00 39.78 38.04 3d54 n ASN 53 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3d54 h LYS 54 N 0.00 0.05 0.00 -3.83 3.64 -1.99 -2.76 116.57 111.67 3d54 h LYS 54 Ca -0.37 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 58.85 3d54 h LYS 54 Cb 1.14 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 3d54 h LYS 54 CO 0.62 0.87 -0.50 1.49 -2.27 0.00 0.00 179.45 179.66 3d54 h GLU 55 N 0.02 0.00 0.00 1.90 4.81 -2.00 -2.31 114.58 117.01 3d54 h GLU 55 Ca -0.02 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3d54 h GLU 55 Cb 1.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.87 3d54 h GLU 55 CO 0.12 0.50 -0.67 -0.22 -0.73 0.00 0.00 179.01 178.01 3d54 h LYS 56 N 0.00 0.00 0.23 1.92 1.63 -1.97 -3.26 116.57 115.12 3d54 h LYS 56 Ca -0.01 0.00 -0.31 0.00 -0.85 0.00 0.00 60.65 59.48 3d54 h LYS 56 Cb 1.14 0.00 0.04 0.00 -0.60 0.00 0.00 32.23 32.80 3d54 h LYS 56 CO 0.07 0.00 -1.37 0.00 -3.45 0.00 0.00 179.45 174.69 3d54 h ALA 57 N 2.45 -0.14 0.00 5.00 0.00 -1.27 -3.19 119.26 122.12 3d54 h ALA 57 Ca 0.00 -0.83 -0.03 0.00 0.00 0.00 0.00 54.91 54.05 3d54 h ALA 57 Cb 0.77 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 3d54 h ALA 57 CO 0.00 0.65 -0.16 -0.92 0.00 0.00 0.00 179.25 178.81 3d54 h TYR 58 N 0.10 0.00 -0.16 0.00 3.20 -1.51 -2.29 116.97 116.31 3d54 h TYR 58 Ca -0.24 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.53 3d54 h TYR 58 Cb 2.08 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 40.33 3d54 h TYR 58 CO 0.14 0.16 -0.36 0.93 -1.64 0.00 0.00 178.16 177.39 3d54 h GLU 59 N 0.00 0.34 -0.27 1.82 4.39 -1.59 -1.25 114.58 118.03 3d54 h GLU 59 Ca -0.00 -0.15 -0.13 0.00 0.34 0.00 0.00 59.36 59.42 3d54 h GLU 59 Cb 0.36 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 3d54 h GLU 59 CO 0.02 0.66 -0.34 0.82 -1.16 0.00 0.00 179.01 179.00 3d54 h ILE 60 N 0.29 1.30 -0.15 3.13 2.04 -1.47 -1.51 117.51 121.14 3d54 h ILE 60 Ca 0.03 -1.53 -0.01 0.00 1.00 0.00 0.00 64.86 64.35 3d54 h ILE 60 Cb 0.77 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 3d54 h ILE 60 CO 0.06 0.49 0.05 0.58 0.00 0.00 0.00 178.15 179.33 3d54 h VAL 61 N 0.44 1.17 0.00 1.67 2.07 -1.45 -1.05 116.25 119.10 3d54 h VAL 61 Ca 0.03 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 3d54 h VAL 61 Cb 0.93 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 3d54 h VAL 61 CO 0.08 0.16 -0.08 0.50 0.02 0.00 0.00 177.57 178.25 3d54 h LYS 62 N 0.07 0.00 0.02 1.57 3.64 -1.17 -1.66 116.57 119.04 3d54 h LYS 62 Ca 0.05 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 3d54 h LYS 62 Cb 0.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3d54 h LYS 62 CO -0.00 0.08 -0.13 -0.22 -2.27 0.00 0.00 179.45 176.91 3d54 h LYS 63 N 0.00 0.06 -0.22 1.90 3.64 -0.79 -3.23 116.57 117.92 3d54 h LYS 63 Ca -0.00 -0.08 0.07 0.00 -1.27 0.00 0.00 60.65 59.36 3d54 h LYS 63 Cb 0.27 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3d54 h LYS 63 CO 0.01 0.98 0.16 0.00 -2.27 0.00 0.00 179.45 178.34 3d54 h ALA 64 N 0.08 2.20 0.02 5.00 0.00 -0.58 -1.06 119.26 124.91 3d54 h ALA 64 Ca -0.02 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 3d54 h ALA 64 Cb 1.04 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3d54 h ALA 64 CO 0.02 -0.28 -0.93 0.00 0.00 0.00 0.00 179.25 178.07 3d54 h GLU 66 N 0.10 0.00 0.00 0.00 4.39 -1.21 -1.34 114.58 116.52 3d54 h GLU 66 Ca -0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3d54 h GLU 66 Cb 1.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.23 3d54 h GLU 66 CO 0.14 0.62 0.00 -0.85 -1.16 0.00 0.00 179.01 177.76 3d54 n GLU 67 N -3.43 0.10 0.17 2.33 0.28 -1.15 -4.85 120.64 114.08 3d54 n GLU 67 Ca 0.00 -0.50 0.00 0.00 -0.16 0.00 0.00 57.16 56.50 3d54 n GLU 67 Cb 0.71 -0.77 0.00 0.00 1.43 0.00 0.00 31.44 32.81 3d54 n GLU 67 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 3d54 n LEU 68 N -0.08 -1.42 -0.01 -1.84 7.94 -0.95 -5.05 117.00 115.59 3d54 n LEU 68 Ca 0.00 0.59 -0.17 0.00 -1.11 0.00 0.00 56.01 55.33 3d54 n LEU 68 Cb 0.19 1.48 -0.12 0.00 0.53 0.00 0.00 43.42 45.50 3d54 n LEU 68 CO 0.00 -0.44 0.29 -0.07 -1.11 0.00 0.00 177.39 176.06 3d54 h LEU 69 N 0.00 0.39 -9.29 -1.96 3.38 -1.24 -3.43 115.31 103.17 3d54 h LEU 69 Ca 0.00 -0.80 -0.65 0.00 0.09 0.00 0.00 57.88 56.52 3d54 h LEU 69 Cb 0.00 -0.12 -0.14 0.00 0.09 0.00 0.00 40.66 40.49 3d54 h LEU 69 CO 0.00 1.14 -0.57 -0.69 0.09 0.00 0.00 178.44 178.41 3d54 s VAL 70 N -3.06 4.74 -0.60 1.22 1.01 -0.51 -5.04 120.40 118.17 3d54 s VAL 70 Ca -0.14 -0.07 -0.23 0.00 0.00 0.00 0.00 61.98 61.54 3d54 s VAL 70 Cb 0.02 -3.06 0.06 0.00 0.00 0.00 0.00 36.38 33.40 3d54 s VAL 70 CO 0.79 0.56 0.91 0.21 0.00 0.00 0.00 175.10 177.56 3d54 s ASN 71 N -0.46 6.24 0.00 3.32 2.47 -1.26 -4.67 114.94 120.58 3d54 s ASN 71 Ca 0.10 -0.77 0.00 0.00 0.42 0.00 0.00 52.86 52.61 3d54 s ASN 71 Cb -0.12 -2.40 0.00 0.00 -1.45 0.00 0.00 41.25 37.28 3d54 s ASN 71 CO 0.02 -1.29 0.67 -0.81 -3.72 0.00 0.00 177.10 171.98 3d54 n PRO 72 N 7.38 0.00 -0.06 0.43 -0.04 -1.26 -1.80 135.00 139.65 3d54 n PRO 72 Ca -0.02 0.20 -0.13 0.00 -0.04 0.00 0.00 63.50 63.50 3d54 n PRO 72 Cb 0.46 -1.52 -0.12 0.00 -0.04 0.00 0.00 33.50 32.27 3d54 n PRO 72 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3d54 h VAL 73 N 0.00 1.68 0.00 0.52 2.07 -2.02 -3.41 116.25 115.10 3d54 h VAL 73 Ca 0.00 -2.13 0.00 0.00 0.82 0.00 0.00 66.70 65.39 3d54 h VAL 73 Cb 0.05 3.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 3d54 h VAL 73 CO 0.00 0.54 0.00 1.33 0.02 0.00 0.00 177.57 179.46 3d54 n VAL 74 N -4.65 0.17 -4.76 2.57 0.24 -1.13 -5.03 118.33 105.73 3d54 n VAL 74 Ca -0.09 -0.33 -0.32 0.00 -2.04 0.00 0.00 64.34 61.55 3d54 n VAL 74 Cb 0.43 1.25 -0.12 0.00 -1.47 0.00 0.00 33.84 33.93 3d54 n VAL 74 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3d54 s GLU 75 N -0.17 2.44 0.08 7.34 2.02 -0.74 -1.17 118.70 128.49 3d54 s GLU 75 Ca 0.00 -0.75 0.09 0.00 0.02 0.00 0.00 54.97 54.33 3d54 s GLU 75 Cb 0.00 -2.37 -0.04 0.00 0.10 0.00 0.00 34.13 31.82 3d54 s GLU 75 CO 0.00 0.61 -0.21 -1.83 0.02 0.00 0.00 175.26 173.85 3d54 s GLU 76 N -0.99 1.83 0.09 1.61 -1.05 -0.22 -4.56 118.70 115.41 3d54 s GLU 76 Ca 0.13 -1.12 0.04 0.00 -0.15 0.00 0.00 54.97 53.87 3d54 s GLU 76 Cb -0.11 -2.08 -0.03 0.00 -0.44 0.00 0.00 34.13 31.47 3d54 s GLU 76 CO 0.03 0.50 -0.10 1.52 0.95 0.00 0.00 175.26 178.16 3d54 s TYR 77 N -0.99 1.06 -0.07 4.83 1.13 -1.26 -1.97 117.35 120.08 3d54 s TYR 77 Ca 0.15 -0.63 -0.03 0.00 -1.41 0.00 0.00 57.07 55.15 3d54 s TYR 77 Cb -0.10 -0.58 0.04 0.00 -1.10 0.00 0.00 41.96 40.21 3d54 s TYR 77 CO 0.06 0.00 0.11 -2.00 -2.51 0.00 0.00 175.55 171.21 3d54 s GLU 78 N -2.66 -0.01 -0.03 -3.49 2.12 -0.91 -5.01 118.70 108.70 3d54 s GLU 78 Ca 0.04 0.41 -0.02 0.00 0.36 0.00 0.00 54.97 55.76 3d54 s GLU 78 Cb -0.04 -0.55 -0.04 0.00 0.26 0.00 0.00 34.13 33.76 3d54 s GLU 78 CO 0.00 -0.36 0.10 0.54 -0.54 0.00 0.00 175.26 175.00 3d54 s VAL 79 N 2.22 4.93 0.11 3.70 0.11 -1.26 -1.87 120.40 128.35 3d54 s VAL 79 Ca 0.04 -0.24 -0.00 0.00 -2.93 0.00 0.00 61.98 58.84 3d54 s VAL 79 Cb -0.12 -3.23 -0.04 0.00 -1.53 0.00 0.00 36.38 31.46 3d54 s VAL 79 CO -0.05 0.42 0.01 0.00 -3.33 0.00 0.00 175.10 172.16 3d54 s ARG 80 N -1.55 0.86 0.41 1.54 1.70 -1.10 -5.02 118.95 115.79 3d54 s ARG 80 Ca 0.21 -1.39 0.00 0.00 -0.47 0.00 0.00 55.73 54.09 3d54 s ARG 80 Cb -0.12 0.12 -0.02 0.00 -0.57 0.00 0.00 34.95 34.36 3d54 s ARG 80 CO 0.12 -0.18 0.63 -1.21 -1.08 0.00 0.00 175.30 173.58 3d54 s GLU 81 N -3.97 3.24 0.00 3.89 2.02 -1.26 -1.57 118.70 121.04 3d54 s GLU 81 Ca 0.18 -0.41 0.00 0.00 0.02 0.00 0.00 54.97 54.76 3d54 s GLU 81 Cb 0.07 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.71 3d54 s GLU 81 CO -0.02 -0.11 0.12 1.28 0.02 0.00 0.00 175.26 176.56